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CAS 159857-79-1 Val-Cit-PAB-OH molecular structure lightbox
CAS RN: 159857-79-1

Val-Cit-PAB-OH

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100g In stock Shanghai Inquiry
Batchno.20260228 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260327 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250809 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251118 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260415 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-067837
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 0.1g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 159857-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 4 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry

159857-79-1 / (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide

Standard CAS: 159857-79-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
159857-79-1
Multi CAS
No
Molecular Formula
C18H29N5O4
Molecular Weight
379.500000
Exact Mass
379.221954
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)N
InChI
InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23-14(4-3-9-21-18(20)27)16(25)22-13-7-5-12(10-24)6-8-13/h5-8,11,14-15,24H,3-4,9-10,19H2,1-2H3,(H,22,25)(H,23,26)(H3,20,21,27)/t14-,15-/m0/s1
InChIKey
VEGGTWZUZGZKHY-GJZGRUSLSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
6
Molar refractivity
102.56
TPSA
159.57

LogP / Solubility

WLOGP
0.03
MLOGP
0.05
XLogP3
-0.5
Consensus LogP
-0.14
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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